1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-(1-veratrylpiperidin-1-ium-4-carbonyl)isonipecotamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N)OC

InChI

InChI=1S/C21H31N3O4/c1-27-18-4-3-15(13-19(18)28-2)14-23-9-5-17(6-10-23)21(26)24-11-7-16(8-12-24)20(22)25/h3-4,13,16-17H,5-12,14H2,1-2H3,(H2,22,25)/p+1